NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMyricetin
NPACT-IdNPACT00790
IUPAC3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SynonymsCannabiscetin;Myricetol;Myricitin;3,3',4',5,5',7-Hexahydroxyflavone
PubChem Id53788628
ClassFlavonoid
In-vitro anticancer activity 8 cancer cell lines
In-Vivo anticancer activity Yes
TargetsAKT1 | JAK1 | MAP2K4 | RAF1 | STAT3 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyFAFZXSQPKKRCKO-PKOBYXMFSA-N
InChi1S/C19H38N2O2/c1-2-3-4-5-6-8-12-17-13-11-15-19(17,18(22)23)14-9-7-10-16-21-20/h17,21H,2-16,20H2,1H3,(H,22,23)/t17-,19+/m0/s1
SMILESOC(=O)[C@]1([C@H](CCC1)CCCCCCCC)CCCCCNN
SMART[H]OC(=O)[C@]1(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CAS No.529-44-2
Structure
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Cross Refrence in other databases
Super Natural   000529442
CTD   C040015
HIT   C0307
NCI-60 GI50 data   529-44-2
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.